Month: November 2022

Veerakanellore, Giri Babu published the artcileSolid-state photochemistry of cis-cinnamic acids: a competition between [2+2] addition and cis-trans isomerization, Recommanded Product: (E)-3-(2,4-Dimethoxyphenyl)acrylic acid, the publication is CrystEngComm (2016), 18(25), 4708-4712, database is CAplus.

With three examples, we have established that cis-cinnamic acids can dimerize via a diradical intermediate in the crystalline state provided that the intermol. distance is less than 4.2 ?. In the excited state of cis-isomers, C-C bond formation with an adjacent mol. competes with geometric isomerization.

CrystEngComm published new progress about 16909-09-4. 16909-09-4 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Benzene,Ether, name is (E)-3-(2,4-Dimethoxyphenyl)acrylic acid, and the molecular formula is C13H10O2, Recommanded Product: (E)-3-(2,4-Dimethoxyphenyl)acrylic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Capaccio, V. published the artcileOrganocatalytic Heterocyclization Driven by Dynamic Kinetic Resolution: Enantioselective Access to Multi-heteroatomic Cyclic Structures Mediated by Cinchona Alkaloid-based Catalysts, COA of Formula: C15H24S, the publication is Advanced Synthesis & Catalysis (2017), 359(16), 2874-2880, database is CAplus.

A new class of multi-heteroat. cyclic compounds containing N, S and O I (R = C₆H₅, 2-H₃CC₆H₄, c-hexyl, etc.) has been achieved in an enantioselective fashion via desymmetrization of 2-cyano-N-tosylbenzylidenimine with thiols and subsequent catalytic dynamic kinetic resolution (DKR). Both organo- and phase transfer catalysis based on cinchona alkaloids having two H-bonding coordination sites proved to be effective to furnish very good level of enantioselectivity (up to 95:5 er) in the heterocyclization of racemic N-Tosyl-protected N,S-acetals deriving from 2-formyl benzonitriles.

Advanced Synthesis & Catalysis published new progress about 22693-41-0. 22693-41-0 belongs to catalysis-chemistry, auxiliary class Other Functionalization Reagent, name is 2,4,6-Triisopropylbenzenethiol, and the molecular formula is C15H24S, COA of Formula: C15H24S.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Li, Zhiping published the artcileFeCl₂-catalyzed selective C-C bond formation by oxidative activation of a benzylic C-H bond, Safety of Bis(4-fluorophenyl)methane, the publication is Angewandte Chemie, International Edition (2007), 46(34), 6505-6507, database is CAplus and MEDLINE.

Readily available and non-toxic FeCl₂ effectively catalyzes C-C bond formation by oxidative activation of benzylic C-H bonds in the presence of tert-Bu peroxide as a stoichiometric oxidant. The mild reaction conditions, good yields, low catalyst cost, and easy operation are the major advantages of this cross-dehydrogenation coupling reaction. A series of substituted 1,3-dicarbonyl compounds, e.g., I, were generated using this method.

Angewandte Chemie, International Edition published new progress about 457-68-1. 457-68-1 belongs to catalysis-chemistry, auxiliary class Fluoride,Benzene, name is Bis(4-fluorophenyl)methane, and the molecular formula is C13H10F2, Safety of Bis(4-fluorophenyl)methane.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Cui, Jingtao published the artcileComprehensive lipid profiles of sea cage aquaculture cobia (Rachycentron canadum) based on lipidomics, Application In Synthesis of 6217-54-5, the publication is Journal of Food Composition and Analysis (2022), 104664, database is CAplus.

Cobia (Rachycentron canadum) is a significant fish species for mariculture with high nutritional value. This research aims to comprehensively investigate the lipid profiles of cobia tissues, including fatty acid profiles, characteristics of phospholipids (PL) and triacylglycerols (TAG), and lipid mol. species. The results showed that cobia contained high levels of total lipids (2.89 -32.09% of wet weight), docosahexaenoic acid (DHA, 10.83 -14.69% of total fatty acids) and eicosapentaenoic acid (EPA, 3.54 -9.68%). Compared with TAG, higher levels of polyunsaturated fatty acids, DHA/EPA in particular, were concentrated in PL. Interestingly, DHA was predominantly distributed in the sn-1 position of PL and the sn-2 position of TAG, whereas EPA was predominantly distributed in the external positions of PL and TAG. Addnl., at least 693 mol. species from 23 subclasses were identified by ultrahigh-performance liquid chromatog.-quadrupole exactive-mass spectrometry (UPLC-Q-Exactive-MS). Glycerophospholipids (63.19 -66.61%) and glycerolipids (19.17 -22.21%) were the major lipid classes in cobia tissues, and the majority of them contained DHA and EPA. Hence, this comprehensive anal. will help to evaluate the lipid nutritional values and facilitate exploitation in cobia consumption and processing.

Journal of Food Composition and Analysis published new progress about 6217-54-5. 6217-54-5 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Aliphatic hydrocarbon chain,Metabolic Enzyme,RAR/RXR,Natural product, name is Docosahexaenoic Acid, and the molecular formula is C22H32O2, Application In Synthesis of 6217-54-5.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Wen, Wuqiang published the artcileStructure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis, Category: catalysis-chemistry, the publication is Journal of Medicinal Chemistry (2022), 65(3), 2656-2674, database is CAplus and MEDLINE.

Fructose-1,6-bisphosphate aldolase (FBA) represents an attractive new antifungal target. Here, we employed a structure-based optimization strategy to discover a novel covalent binding site (C292 site) and the first-in-class covalent allosteric inhibitors of FBA from Candida albicans (CaFBA). Site-directed mutagenesis, liquid chromatog.-mass spectrometry, and the crystallog. structures of APO-CaFBA, CaFBA-G3P, and C157S-I revealed that S268 is an essential pharmacophore for the catalytic activity of CaFBA, and L288 is an allosteric regulation switch for CaFBA. Furthermore, most of the CaFBA covalent inhibitors exhibited good inhibitory activity against azole-resistant C. albicans, and compound II can inhibit the growth of azole-resistant strains 103 with the MIC₈₀ of 1¦Ìg/mL. Collectively, this work identifies a new covalent allosteric site of CaFBA and discovers the first generation of covalent inhibitors for fungal FBA with potent inhibitory activity against resistant fungi, establishing a structural foundation and providing a promising strategy for the design of potent antifungal drugs.

Journal of Medicinal Chemistry published new progress about 119-80-2. 119-80-2 belongs to catalysis-chemistry, auxiliary class sulfides,Carboxylic acid,Benzene, name is 2,2′-Dithiodibenzoic acid, and the molecular formula is C20H28B2O4S2, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Zhang, Hanwen published the artcileAn improved strategy for the synthesis of [¹⁸F]-labeled arabinofuranosyl nucleosides, Category: catalysis-chemistry, the publication is Nuclear Medicine and Biology (2012), 39(8), 1182-1188, database is CAplus and MEDLINE.

The expression of the herpes simplex virus type-1 thymidine kinase (HSV1-tk) gene can be imaged efficaciously using a variety of 2′-[¹⁸F]fluoro-2′-deoxy-1-¦Â-D-arabinofuranosyl-uracil derivatives [¹⁸F]-F(X)AU (X = I, Et, Me), e.g. I. However, the application of these derivatives in clin. and translational studies has been impeded by their complicated and long syntheses (3-5 h). To remedy these issues, in the study at hand we have investigated whether microwave or combined catalysts could facilitate the coupling reaction between sugar and nucleobase and, further, have probed the feasibility of establishing a novel approach for [¹⁸F]-F(X)AU synthesis. We have demonstrated that the rate of the trimethylsilyl trifluoromethanesulfonate (TMSOTf)-catalyzed coupling reaction between the 2-deoxy-sugar and uracil derivatives at 90 ¡ãC can be significantly accelerated by microwave-driven heating or by the addition of Lewis acid catalyst (SnCl₄). Further, we have observed that the stability of the ¦Á- and ¦Â-anomers of [¹⁸F]-F(X)AU derivatives differs during the hydrolysis step. Using the microwave-driven heating approach, overall decay-corrected radiochem. yields of 19%-27% were achieved for [¹⁸F]-FXAU in 120 min at a specific activity of > 22 MBq/nmol (595 Ci/mmol). Ultimately, we believe that these high yielding syntheses of [¹⁸F]-F(I)AU, [¹⁸F]-F(Me)AU and [¹⁸F]-F(Et)AU will facilitate routine production for clin. applications.

Nuclear Medicine and Biology published new progress about 17351-62-1. 17351-62-1 belongs to catalysis-chemistry, auxiliary class Salt,Amine, name is Tetrabutylammonium hydrogencarbonate, and the molecular formula is C8H7ClO3, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Valadao, George Eduardo Sales published the artcileDepression of spodumene in pegmatite samples, Application of Dodecylamineacetate, the publication is Congresso Anual – Associacao Brasileira de Metais (1991), 46th(Vol. 2), 485-94, database is CAplus.

Conditions for depression of spodumene contained in Itinga-Aracuai (Brazil) pegmatitic bodies were studied using corn starch, dextrin, or Al(NO₃)₃ as the depressant. Dextrin exhibited no selective depressing action, whereas Al(NO₃)₃ could be used as a selective depressant. The concentrate obtained contained ?6.5% LiO₂ at recovery 91%. In the amine (Armac 12D)-corn starch system, the concentrate contained 5.87-6.74% LiO₂ at recovery 71.5-89.3%. NaOH pretreatment did not affect the results obtained with that system.

Congresso Anual – Associacao Brasileira de Metais published new progress about 2016-56-0. 2016-56-0 belongs to catalysis-chemistry, auxiliary class Active Esterification, name is Dodecylamineacetate, and the molecular formula is C5H10O2S, Application of Dodecylamineacetate.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Calisir, Umit published the artcileSynthesis, characterizations of aryl-substituted dithiodibenzothioate derivatives, and investigating their anti-Alzheimer¡äs properties, Application of 2,2′-Dithiodibenzoic acid, the publication is Journal of Biomolecular Structure and Dynamics, database is CAplus and MEDLINE.

The main objective of the present study was to synthesize potential inhibitor/activators of AChE and hCA I-II enzymes, which was thought to be directly related to Alzheimer¡äs disease. Dithiodibenzothioate compounds were synthesized by thioesterification. HOMO-LUMO calculations and electronic properties of all synthesized compounds were comprehensively illuminated with a semi-empirical MO (SEMO) package for organic and inorganic systems using Austin Model 1 (AM1)-Hamiltonian as implemented in the VAMP module of Materials Studio. In addition, the inhibition effects of these compounds for AChE and hCA I-II in vitro conditions were investigated. It was revealed that compounds I [R = 2-Me, 3-Me, 4-Me, 2-MeO, 3-MeO, 4-MeO] inhibited the AChE under in vitro conditions. Compound I [R = 2-Me] activated the enzyme hCA I while compounds I [R = 3-Me, 4-Me, 2-MeO] inhibited it. Compounds I [R = 3-MeO, 4-MeO], on the other hand, did not exhibit a regular inhibition profile. Similarly, compound I [R = 2-Me] activated the hCA II enzyme whereas compounds I [R = 3-Me, 4-Me, 2-MeO, 3-MeO] inhibited it. CompoundI [R = 4-MeO] did not have a consistent inhibition profile for hCA II. Docking studies were performed with the compounds against AChE and hCA I-II receptors using induced-fit docking method. Mol. Dynamics (MD) simulations for best effective three protein-ligand couple were conducted to explore the binding affinity of the considered compounds in semi-real in-silico conditions. Along with the MD results, compound I [R = 2-Me]-based protein complexes were found more stable than compound I [R = 3-MeO].

Journal of Biomolecular Structure and Dynamics published new progress about 119-80-2. 119-80-2 belongs to catalysis-chemistry, auxiliary class sulfides,Carboxylic acid,Benzene, name is 2,2′-Dithiodibenzoic acid, and the molecular formula is C14H10O4S2, Application of 2,2′-Dithiodibenzoic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Bistaffa, Maria J. published the artcileImmunoassay platform with surface-enhanced resonance Raman scattering for detecting trace levels of SARS-CoV-2 spike protein, Formula: C6H17NO3Si, the publication is Talanta (2022), 123381, database is CAplus and MEDLINE.

The early diagnosis of Coronavirus disease (COVID-19) requires either an accurate detection of genetic material or a sensitive detection of viral proteins. In this work, we designed an immunoassay platform for detecting trace levels of SARS-CoV-2 spike (S) protein. It is based on surface-enhanced resonance Raman scattering (SERRS) of methylene blue (MB) adsorbed onto spherical gold nanoparticles (AuNPs) and coated with a 6 nm silica shell. The latter shell in the SERRS nanoprobe prevented aggregation and permitted functionalization with SARS-CoV-2 antibodies. Specificity of the immunoassay was achieved by combining this functionalization with antibody immobilization on the cover slides that served as the platform support. Different concentrations of SARS-CoV-2 antigen could be distinguished and the lack of influence of interferents was confirmed by treating SERRS data with the multidimensional projection technique Sammon’s mapping. With SERRS using a laser line at 633 nm, the lowest concentration of spike protein detected was 10 pg/mL, achieving a limit of detection (LOD) of 0.046 ng/mL (0.60 pM). This value is comparable to the lowest concentrations in the plasma of COVID-19 patients at the onset of symptoms, thus indicating that the SERRS immunoassay platform may be employed for early diagnosis.

Talanta published new progress about 13822-56-5. 13822-56-5 belongs to catalysis-chemistry, auxiliary class Organic Silicones, name is 3-(Trimethoxysilyl)propan-1-amine, and the molecular formula is C6H17NO3Si, Formula: C6H17NO3Si.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Yao, Haiyun published the artcileSynthesis, Crystal Structure, and Luminescence Properties of the Iso-Reticular Series of Lanthanide Coordination Polymers Synthesized from Hexa-Lanthanide Molecular Precursors, Recommanded Product: 4-Nitrophenylacetic acid, the publication is Inorganic Chemistry (2022), 61(12), 4895-4908, database is CAplus and MEDLINE.

Microwave-assisted reactions in DMSO, between a hexa-lanthanide octahedral complex ([Ln₆(¦Ì₆-O)(¦Ì₃-OH)₈(NO₃)₆(H₂O)₁₂¡¤2NO₃¡¤2H₂O] with Ln = Nd-Yb plus Y) and either 3-halobenzoic acid (hereafter symbolized by 3-xbH with x = f or c for fluoro or chloro, resp.) or 4-halobenzoic acid (hereafter symbolized by 4-xbH with x = f, c, or b for fluoro, chloro, or bromo, resp.), lead to 1-dimensional lanthanide coordination polymers. These coordination polymers are almost iso-reticular. The crystal structure is described from the coordination polymer with chem. formula [Tb(4-fb)₃(DMSO)(H₂O)₂¡¤DMSO]_¡Þ obtained from 4-fluorobenzoic acid (4-fbH) and the Tb³⁺-based octahedral complex: It crystallizes in the triclinic system, space group P1? (n¡ã2), with the following cell parameters: a 9.8561(9), b 10.5636(9), c 15.1288(15) ?, ¦Á 100.840(3), ¦Â 95.552(3), ¦Ã 110.482(3)¡ã, and Z = 2. It can be described from 1-dimensional mol. chains. Luminescence properties of the Tb and Eu derivatives were measured and compared vs. the halo-function and its position (meta or para). Some mol. alloys also were prepared to estimate the strength of the intermetallic energy transfers. To confirm that the hexa-nuclear complexes (and not the halogenated ligand) have a structuring effect for the formation of the straight chain-like mol. motif, another coordination polymer with chem. formula [Tb(4-npa)₃DMSO¡¤DMSO¡¤H₂O]_¡Þ (4-npaH = 4-nitro-phenyl-HOAc) was prepared It crystallizes in the triclinic system, space group P1? (n¡ã2) with the following cell parameters: a 7.8784(8), b 14.8719(16), c 15.2753(17) ?, ¦Á 73.612(4), ¦Â 86.406(4), ¦Ã 83.104(4)¡ã, and Z = 2. Its crystal structure can be described from a mol. motif that is similar to the one observed in the five previous crystal structures which confirms the structuring effect of the hexa-nuclear complexes.

Inorganic Chemistry published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C8H5IO, Recommanded Product: 4-Nitrophenylacetic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia